SCHEMBL19983731

SCHEMBL19983731

CNCc1c[nH]c2cc(Nc3cc(C)c(Cl)cn3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.37
WEE1 P30291 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
P2RX3 P56373 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
NR3C1 P04150 1/20 0.33
GRM4 Q14833 1/20 0.33
CYP2D6 P10635 1/20 0.33
IDO1 P14902 1/20 0.33
IMPDH2 P12268 1/20 0.33
CCKBR P32239 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
TDO2 P48775 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19983747 0.81 APP (0.39) GPR84WEE1CHRNB2CHRNA7CHRNA4
SCHEMBL19983861 0.79 GPR84 (0.41) GPR84WEE1CHRNB2CHRNA7CHRNA4
SCHEMBL19984110 0.78 GPR84 (0.44) GPR84CHRNB2CHRNA7CHRNA4MEN1
SCHEMBL19984193 0.78 GPR84 (0.37) GPR84WEE1CHRNB2CHRNA7CHRNA4
SCHEMBL19984142 0.76 BACE1 (0.39) GPR84WEE1P2RX3GRM4
SCHEMBL19984234 0.76 BCL6 (0.38) GPR84WEE1CHRNB2CHRNA7CHRNA4
SCHEMBL19984216 0.76 GPR84 (0.48) GPR84CHRNB2CHRNA7CHRNA4P2RX3
SCHEMBL19984197 0.76 GPR84 (0.49) GPR84CHRNB2CHRNA7CHRNA4P2RX3
SCHEMBL19983715 0.76 HTR2A (0.42) GPR84CHRNB2CHRNA7CHRNA4NR3C1
SCHEMBL19984000 0.76 HTR2A (0.46) GPR84CHRNB2CHRNA7CHRNA4MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed